N-(3-methoxypropyl)-2-[4-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]piperazin-1-yl]acetamide

C18H25F3N4O4 — CID 55518105

IUPACN-(3-methoxypropyl)-2-[4-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]piperazin-1-yl]acetamide
SMILESCOCCCNC(=O)CN1CCN(C(=O)c2ccc(OCC(F)(F)F)nc2)CC1
InChIInChI=1S/C18H25F3N4O4/c1-28-10-2-5-22-15(26)12-24-6-8-25(9-7-24)17(27)14-3-4-16(23-11-14)29-13-18(19,20)21/h3-4,11H,2,5-10,12-13H2,1H3,(H,22,26)
InChIKeyXRVDNHJTIPXVSO-UHFFFAOYSA-N
MW418.42 g/mol
LogP0.93
Rot. Bonds9

About N-(3-methoxypropyl)-2-[4-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]piperazin-1-yl]acetamide

N-(3-methoxypropyl)-2-[4-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]piperazin-1-yl]acetamide (PubChem CID 55518105) has the molecular formula C18H25F3N4O4 and a molecular weight of 418.42 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[4-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[4-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]piperazin-1-yl]acetamide
PubChem CID55518105
Molecular FormulaC18H25F3N4O4
Molecular Weight418.42 g/mol
Exact Mass418.18
IUPAC NameN-(3-methoxypropyl)-2-[4-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]piperazin-1-yl]acetamide
SMILESCOCCCNC(=O)CN1CCN(C(=O)c2ccc(OCC(F)(F)F)nc2)CC1
InChIInChI=1S/C18H25F3N4O4/c1-28-10-2-5-22-15(26)12-24-6-8-25(9-7-24)17(27)14-3-4-16(23-11-14)29-13-18(19,20)21/h3-4,11H,2,5-10,12-13H2,1H3,(H,22,26)
InChIKeyXRVDNHJTIPXVSO-UHFFFAOYSA-N
XLogP0.93
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.42
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]piperazin-1-yl]acetamide
CID 24608512
N-(3-methoxypropyl)-2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]acetamide
CID 8945118
N-(3-methoxypropyl)-2-[4-[4-(phenylcarbamoylamino)benzoyl]piperazin-1-yl]acetamide
CID 55429139
N-(3-methoxypropyl)-2-[4-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide
CID 55581838
2-[4-(3-ethoxy-4-methoxybenzoyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55429129
(3-fluoro-4-methylphenyl)-[4-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]piperazin-1-yl]methanone
CID 55879030
N-(3-methoxypropyl)-2-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperazin-1-yl]acetamide
CID 55550560
N-(3-methoxypropyl)-2-[4-(3-methyl-4-nitrobenzoyl)piperazin-1-yl]acetamide
CID 8945123
N-butan-2-yl-2-[4-(6-methoxypyridine-3-carbonyl)piperazin-1-yl]acetamide
CID 134043905
[4-(4-fluorophenyl)piperazin-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone
CID 55508084
N-(3-methoxypropyl)-2-[4-[4-(thiophen-2-ylsulfonylamino)benzoyl]piperazin-1-yl]acetamide
CID 55428456
N-(3-methoxypropyl)-2-[4-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoyl]piperazin-1-yl]acetamide
CID 55429028

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[4-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-[4-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]piperazin-1-yl]acetamide (CID 55518105) is N-(3-methoxypropyl)-2-[4-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[4-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[4-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]piperazin-1-yl]acetamide is COCCCNC(=O)CN1CCN(C(=O)c2ccc(OCC(F)(F)F)nc2)CC1.
What is the InChIKey of N-(3-methoxypropyl)-2-[4-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]piperazin-1-yl]acetamide?
The InChIKey is XRVDNHJTIPXVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N4O4/c1-28-10-2-5-22-15(26)12-24-6-8-25(9-7-24)17(27)14-3-4-16(23-11-14)29-13-18(19,20)21/h3-4,11H,2,5-10,12-13H2,1H3,(H,22,26).
What are the key properties of N-(3-methoxypropyl)-2-[4-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]piperazin-1-yl]acetamide?
N-(3-methoxypropyl)-2-[4-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]piperazin-1-yl]acetamide has a molecular weight of 418.42 g/mol, XLogP of 0.93, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[4-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 55518105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).